Geometry & MOs

Info

ID:	194166
PubChem CID:	78493000
Reduced:	FN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	351.02702
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	5.2
IP(EA), eV:	-8.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(C(=CNC(C)C2=CC=C(C=C2)F)C1=O)CO

DOS

IR

Vibrations